3-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]carbonyl-6,7-dihydro-5H-1-benzofuran-4-one

Systemtic Name: 3-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]carbonyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 3-[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]-6,7-dihydro-5H-benzofuran-4-one CAS Name: 3-[[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-oxomethyl]-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 3-[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 3-[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]-6,7-dihydro-5H-benzofuran-4-one Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)C3=COC4=C3C(=O)CCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)C3=COC4=C3C(=O)CCC4

InChI

InChI=1S/C22H21NO5/c1-2-15-5-3-6-16(11-15)27-13-17-12-23(9-10-26-17)22(25)18-14-28-20-8-4-7-19(24)21(18)20/h1,3,5-6,11,14,17H,4,7-10,12-13H2